5,8-bis(oxidanylidene)-6-(1-oxidanyl-2-oxidanylidene-butyl)heptacosan-6-olate

Systemtic Name: 5,8-bis(oxidanylidene)-6-(1-oxidanyl-2-oxidanylidene-butyl)heptacosan-6-olate Openeye Name: 6-(1-hydroxy-2-oxo-butyl)-5,8-dioxo-heptacosan-6-olate CAS Name: 6-(1-hydroxy-2-oxobutyl)-5,8-dioxo-6-heptacosanolate IUPAC Name: 6-(1-hydroxy-2-oxobutyl)-5,8-dioxoheptacosan-6-olate Traditional Name: 6-(1-hydroxy-2-keto-butyl)-5,8-diketo-heptacosan-6-olate Formula: C31H57O5- MolecularWeight: 509.78128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCC(=O)CC(C(C(=O)CC)O)(C(=O)CCCC)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCC(=O)CC(C(C(=O)CC)O)(C(=O)CCCC)[O-]

InChI

InChI=1S/C31H57O5/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27(32)26-31(36,29(34)25-8-5-2)30(35)28(33)6-3/h30,35H,4-26H2,1-3H3/q-1